(4S)-1-(4-bromanyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-1-(4-bromanyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-1-(4-bromo-2-methyl-phenyl)-7,7-dimethyl-5-oxo-4-(3-pyridyl)-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-2-(1-pyrrolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-1-(4-bromo-2-methyl-phenyl)-5-keto-7,7-dimethyl-4-(3-pyridyl)-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H25BrN4O MolecularWeight: 513.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C3=C([C@H](C(=C2N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)CC(C3)(C)C

InChI

InChI=1S/C28H25BrN4O/c1-18-13-20(29)8-9-22(18)33-23-14-28(2,3)15-24(34)26(23)25(19-7-6-10-31-17-19)21(16-30)27(33)32-11-4-5-12-32/h4-13,17,25H,14-15H2,1-3H3/t25-/m0/s1